Information card for entry 4502940

Structure parameters

• Formula: C44 H54 Cl2 N2 O6 Pt S4
• Calculated formula: C44 H54 Cl2 N2 O6 Pt S4
• SMILES: [Pt]([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)([n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1)(Cl)Cl.S(C)(C)=O.S(C)(C)=O.O=S(C)C.O=S(C)C
• Title of publication: Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules
• Authors of publication: Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 387
• a: 9.3556 ± 0.0008 Å
• b: 10.5786 ± 0.0009 Å
• c: 24.03 ± 0.02 Å
• α: 90°
• β: 97.3 ± 0.001°
• γ: 90°
• Cell volume: 2359 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No